SCHEMBL9370384

SCHEMBL9370384

Nc1ccc(-c2csc(NC(=S)N3CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ROCK1 Q13464 4/20 0.45
ROCK2 O75116 2/20 0.45
VCP P55072 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.41
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9373675 0.93 ROCK1 (0.43) MEN1KMT2AROCK1ROCK2VCP
SCHEMBL9371472 0.90 KMT2A (0.58) MEN1KMT2AROCK1ROCK2MAPT
SCHEMBL9373908 0.89 SMN1; SMN2 (0.50) MEN1KMT2AROCK1ROCK2MAPT
SCHEMBL9373421 0.89 SMN1; SMN2 (0.51) MEN1KMT2AROCK1ROCK2MAPT
SCHEMBL9374316 0.89 MAPT (0.53) MEN1KMT2AROCK1ROCK2MAPT
SCHEMBL9370393 0.87 ROCK1 (0.61) MEN1KMT2AROCK1ROCK2VCP
SCHEMBL9371474 0.86 ACHE (0.55) MEN1KMT2AMAPTALDH1A1RECQL
SCHEMBL9376475 0.86 GSTO1 (0.49) MEN1KMT2AROCK1ROCK2ALOX5
SCHEMBL9376545 0.86 KDM4E (0.52) MEN1KMT2AROCK1ROCK2VCP
SCHEMBL9370781 0.85 KMT2A (0.53) MEN1KMT2AROCK1MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589985-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-04-06 EP disclosed
WO-1993000342-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-01-07 WO disclosed
EP-0519449-A1 2-Amino-4-aryl thiazoles with antiasthmatic and antiinflammatory activities on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-23 EP disclosed